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Related Concept Videos

NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences01:17

NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences

A pulse is a short burst of radio waves distributed over a range of frequencies that simultaneously excites all the nuclei in the sample. Upon passing a radio frequency pulse along the x-axis, the nuclei absorb energy corresponding to their Larmor frequencies and achieve resonance. This shifts the net magnetization vector from the z-axis toward the transverse plane. This angle of rotation of the magnetization vector, or the flip angle, is proportional to the duration and intensity of the pulse.
2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

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The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...

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Optimized angle selection for radial sampled NMR experiments.

John M Gledhill1, A Joshua Wand

  • 1Johnson Research Foundation and Department of Biochemistry and Biophysics, University of Pennsylvania, 905 Stellar-Chance Laboratories, 422 Curie Boulevard, Philadelphia, PA 19104-6059, USA.

Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|October 7, 2008
PubMed
Summary
This summary is machine-generated.

Sparse sampling in multidimensional NMR data can introduce spectral artifacts. This study presents methods to optimize radial sampling angles, effectively identifying and removing these false peak intensities for cleaner spectra.

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Area of Science:

  • Nuclear Magnetic Resonance (NMR) Spectroscopy
  • Data Acquisition and Processing
  • Spectroscopic Artifact Analysis

Background:

  • Multidimensional NMR data acquisition faces time limitations with traditional Cartesian sampling.
  • Sparse sampling techniques, like radial sampling, offer potential but can introduce spectral artifacts (ridges) from false peak intensities.
  • Robust implementation requires optimizing the sampling strategy to mitigate these artifacts.

Purpose of the Study:

  • To develop and describe methods for optimizing radial sampling angles in multidimensional NMR.
  • To provide numerical approaches for identifying and eliminating artifactual intensity in radially sampled NMR data.
  • To ensure the reliable removal of spectral artifacts for improved data quality.

Main Methods:

  • Utilized aspects of the general simultaneous multidimensional Fourier transform for data analysis.
  • Developed numerical methods to definitively identify artifactual intensity originating from authentic peaks.
  • Optimized the selection of radial sampling angles under various scenarios.

Main Results:

  • Demonstrated that artifacts in radial sampling manifest as ridges extending from authentic peaks.
  • Presented algorithms that effectively identify artifactual intensity.
  • Showcased methods for selecting optimal sampling angles to eliminate artifacts.
  • Validated algorithms using both simulated and experimental triple resonance NMR data.

Conclusions:

  • Optimized radial sampling strategies are crucial for minimizing spectral artifacts in multidimensional NMR.
  • The described numerical methods provide a robust framework for artifact identification and removal.
  • This work enhances the reliability and utility of sparse sampling techniques in NMR spectroscopy.